共 50 条
- [2] Software pipelines for high throughput alchemical binding free energy calculations [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
- [3] Robust simulation workflows for alchemical binding free energy calculations [J]. EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 2017, 46 : S224 - S224
- [4] Applicability of Free Energy Calculations Using High-Throughput Grid Approach [J]. DATA DRIVEN E-SCIENCE, ISGC 2010: USE CASES AND SUCCESSFUL APPLICATIONS OF DISTRIBUTED COMPUTING INFRASTRUCTURES, 2011, : 459 - 474
- [9] Perspective: Alchemical free energy calculations for drug discovery [J]. JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (23):
- [10] Improving and applying alchemical binding free energy calculations [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251